SCHEMBL7645512

SCHEMBL7645512

CNS(=O)(=O)Oc1ccc(C[C@@H](C(=O)O)N(C(=O)C2CS(=O)(=O)CCN2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
P2RX7 Q99572 2/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER1 P34995 1/20 0.33
ITGB1 P05556 3/20 0.33
ITGA4 P13612 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ITGB7 P26010 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
CNR2 P34972 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3870123 0.90 P2RX7 (0.36) PPARGP2RX7KMT2AMEN1TDP1
SCHEMBL7069483 0.86 NPSR1 (0.41) KMT2AMAPTITGB1ITGA4NPSR1
SCHEMBL3870277 0.86 PTGES (0.35) P2RX7KMT2AMEN1TDP1MAPT
SCHEMBL7327485 0.84 HRH1 (0.36) SMN1; SMN2NPSR1
SCHEMBL3868793 0.82 CYP2C9 (0.43) KMT2AMEN1SMN1; SMN2ITGB1ITGA4
SCHEMBL5690598 0.81 MAPT (0.37) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL7510017 0.81 KDM1A (0.35) KMT2AMEN1TDP1MAPTNPSR1
SCHEMBL7068178 0.80 POLB (0.40) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL3870515 0.80 P2RX7 (0.34) PPARGP2RX7KMT2AMEN1MAPT
SCHEMBL5690759 0.78 TRPV1 (0.41) KMT2ATDP1MAPTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM PPARG 2344/4885P2RX7 4659/4885KMT2A 760/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.